SCHEMBL2495508

SCHEMBL2495508

Cn1ccnc1CN(CCCCC(N)C(=O)O)CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.41
ARG1 P05089 2/20 0.40
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK4 Q16099 1/20 0.32
GRIK5 Q16478 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MLYCD O95822 1/20 0.32
SLC1A5 Q15758 3/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ARG2 P78540 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2495503 1.00 CXCR4 (0.41) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL15834886 0.89 CXCR4 (0.41) CXCR4KMT2AMEN1MLYCDNPC1
SCHEMBL2834362 0.87 CXCR4 (0.47) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL2834361 0.87 CXCR4 (0.47) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL2303123 0.86 ARG1 (0.49) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL2303111 0.86 ARG1 (0.49) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL1741941 0.83 ARG1 (0.43) CXCR4ARG1SLC1A5DPP8DPP9
SCHEMBL1741937 0.83 ARG1 (0.43) CXCR4ARG1SLC1A5DPP8DPP9
SCHEMBL2302667 0.83 ARG1 (0.50) CXCR4ARG1GRIK1GRIK2GRIK3
SCHEMBL2302661 0.83 ARG1 (0.50) CXCR4ARG1GRIK1GRIK2GRIK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
US-8962799-B2 Technetium—and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-8840865-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-09-23 US disclosed
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
EP-2373621-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010065899-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CXCR4 3060/4885ARG1 330/4885GRIK1 1340/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CXCR4 2187/4885ARG1 170/4885GRIK1 2239/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CXCR4 3060/4885ARG1 330/4885GRIK1 1340/4885
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CXCR4 2187/4885ARG1 170/4885GRIK1 2239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.